N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C101H114F6N22O14S4 — CID 160754128

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NCc3cccc(C(F)(F)F)n3)n2)C(C)(C)C1.CCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C)n1.C[C@@H]1CN(c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1
InChIInChI=1S/C26H32N6O4S.C25H27F3N6O3S.C25H26F3N5O4S.C25H29N5O3S/c1-6-36-22-13-18(12-17(3)28-22)20-11-10-19(24(29-20)32-15-16(2)14-26(32,4)5)25(33)31-37(34,35)23-9-7-8-21(27)30-23;1-16-13-24(2,3)34(15-16)22-18(8-6-12-29-22)23(35)33-38(36,37)21-11-5-10-20(32-21)30-14-17-7-4-9-19(31-17)25(26,27)28;1-15-13-24(2,3)33(14-15)22-18(23(34)32-38(35,36)21-9-5-8-20(29)31-21)10-11-19(30-22)16-6-4-7-17(12-16)37-25(26,27)28;1-16-7-9-18(10-8-16)20-12-11-19(23(28-20)30-15-17(2)14-25(30,3)4)24(31)29-34(32,33)21-6-5-13-27-22(21)26/h7-13,16H,6,14-15H2,1-5H3,(H2,27,30)(H,31,33);4-12,16H,13-15H2,1-3H3,(H,30,32)(H,33,35);4-12,15H,13-14H2,1-3H3,(H2,29,31)(H,32,34);5-13,17H,14-15H2,1-4H3,(H2,26,27)(H,29,31)/t16-;;15-;17-/m0.00/s1
InChIKeyRXEZTBHDDYMMHM-PXGPRCNTSA-N
MW2102.42 g/mol
LogP15.96
Rot. Bonds25

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 160754128) has the molecular formula C101H114F6N22O14S4 and a molecular weight of 2102.42 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID160754128
Molecular FormulaC101H114F6N22O14S4
Molecular Weight2102.42 g/mol
Exact Mass2100.77
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NCc3cccc(C(F)(F)F)n3)n2)C(C)(C)C1.CCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C)n1.C[C@@H]1CN(c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1
InChIInChI=1S/C26H32N6O4S.C25H27F3N6O3S.C25H26F3N5O4S.C25H29N5O3S/c1-6-36-22-13-18(12-17(3)28-22)20-11-10-19(24(29-20)32-15-16(2)14-26(32,4)5)25(33)31-37(34,35)23-9-7-8-21(27)30-23;1-16-13-24(2,3)34(15-16)22-18(8-6-12-29-22)23(35)33-38(36,37)21-11-5-10-20(32-21)30-14-17-7-4-9-19(31-17)25(26,27)28;1-15-13-24(2,3)33(14-15)22-18(23(34)32-38(35,36)21-9-5-8-20(29)31-21)10-11-19(30-22)16-6-4-7-17(12-16)37-25(26,27)28;1-16-7-9-18(10-8-16)20-12-11-19(23(28-20)30-15-17(2)14-25(30,3)4)24(31)29-34(32,33)21-6-5-13-27-22(21)26/h7-13,16H,6,14-15H2,1-5H3,(H2,27,30)(H,31,33);4-12,16H,13-15H2,1-3H3,(H,30,32)(H,33,35);4-12,15H,13-14H2,1-3H3,(H2,29,31)(H,32,34);5-13,17H,14-15H2,1-4H3,(H2,26,27)(H,29,31)/t16-;;15-;17-/m0.00/s1
InChIKeyRXEZTBHDDYMMHM-PXGPRCNTSA-N
XLogP15.96
TPSA503.37 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002102.42
LogP ≤ 515.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 160754128) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NCc3cccc(C(F)(F)F)n3)n2)C(C)(C)C1.CCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C)n1.C[C@@H]1CN(c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is RXEZTBHDDYMMHM-PXGPRCNTSA-N. The full InChI is InChI=1S/C26H32N6O4S.C25H27F3N6O3S.C25H26F3N5O4S.C25H29N5O3S/c1-6-36-22-13-18(12-17(3)28-22)20-11-10-19(24(29-20)32-15-16(2)14-26(32,4)5)25(33)31-37(34,35)23-9-7-8-21(27)30-23;1-16-13-24(2,3)34(15-16)22-18(8-6-12-29-22)23(35)33-38(36,37)21-11-5-10-20(32-21)30-14-17-7-4-9-19(31-17)25(26,27)28;1-15-13-24(2,3)33(14-15)22-18(23(34)32-38(35,36)21-9-5-8-20(29)31-21)10-11-19(30-22)16-6-4-7-17(12-16)37-25(26,27)28;1-16-7-9-18(10-8-16)20-12-11-19(23(28-20)30-15-17(2)14-25(30,3)4)24(31)29-34(32,33)21-6-5-13-27-22(21)26/h7-13,16H,6,14-15H2,1-5H3,(H2,27,30)(H,31,33);4-12,16H,13-15H2,1-3H3,(H,30,32)(H,33,35);4-12,15H,13-14H2,1-3H3,(H2,29,31)(H,32,34);5-13,17H,14-15H2,1-4H3,(H2,26,27)(H,29,31)/t16-;;15-;17-/m0.00/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2102.42 g/mol, XLogP of 15.96, 25 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 160754128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).